Electronic structure of conjugated oligomers that are building blocks for achiral and chiral graphene nanoribbons

被引:0
|
作者
Malysheva, Lyuba [1 ]
机构
[1] Bogolyubov Inst Theoret Phys, Metrologichna 14b, UA-03143 Kiev, Ukraine
关键词
Graphene; x-electron spectrum; Conjugated oligomer; NANOTUBES; LENGTH; STATE; MODEL;
D O I
10.1016/j.cplett.2023.141048
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The understanding of graphene x-electronic structure is further advanced by presenting the exact solution of the tight-binding eigenvalue problem for conjugated oligomers (polyparaphenylene (PPP) and polynaphthalene (PN) of different lengths), which can serve as building blocks for armchair and (2m, m) graphene nanoribbons. The problem is considered on the basis of the Su-Schrieffer-Heeger-Huckel-type Hamiltonian. We show that the x-electron spectrum of PN includes the local states unlike the spectrum of PPP consisting (as well as spectra of armchair graphene nanoribbons of arbitrary widths) only of extended states and present explicit analytic expressions for the wave functions of the conjugated oligomers.
引用
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页数:6
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